N-(2-hydroxyethyl)-1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

C26H29N5O3 — CID 118659892

About N-(2-hydroxyethyl)-1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

N-(2-hydroxyethyl)-1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118659892) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
• PubChem CID: 118659892
• Molecular Formula: C26H29N5O3
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.23
• IUPAC Name: N-(2-hydroxyethyl)-1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
• SMILES: CN(CCO)C(=O)c1ccc2c(c1)N(c1ncc(-c3cc(C(C)(C)O)ccn3)cn1)CC21CC1
• InChI: InChI=1S/C26H29N5O3/c1-25(2,34)19-6-9-27-21(13-19)18-14-28-24(29-15-18)31-16-26(7-8-26)20-5-4-17(12-22(20)31)23(33)30(3)10-11-32/h4-6,9,12-15,32,34H,7-8,10-11,16H2,1-3H3
• InChIKey: POWOKQKVGCLANR-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 102.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?

The IUPAC name of N-(2-hydroxyethyl)-1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118659892) is N-(2-hydroxyethyl)-1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

What is the SMILES notation for N-(2-hydroxyethyl)-1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?

The canonical SMILES for N-(2-hydroxyethyl)-1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is CN(CCO)C(=O)c1ccc2c(c1)N(c1ncc(-c3cc(C(C)(C)O)ccn3)cn1)CC21CC1.

What is the InChIKey of N-(2-hydroxyethyl)-1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?

The InChIKey is POWOKQKVGCLANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-25(2,34)19-6-9-27-21(13-19)18-14-28-24(29-15-18)31-16-26(7-8-26)20-5-4-17(12-22(20)31)23(33)30(3)10-11-32/h4-6,9,12-15,32,34H,7-8,10-11,16H2,1-3H3.

What are the key properties of N-(2-hydroxyethyl)-1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?

N-(2-hydroxyethyl)-1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118659892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).